| SpectraBase Compound ID | 2oSHGDyALSj |
|---|---|
| InChI | InChI=1S/C21H20/c1-3-4-15-21-18-9-6-10-19(21)14-12-17-8-5-7-16(11-13-18)20(17,21)2/h3,5-14H,1,4,15H2,2H3 |
| InChIKey | VFLSXABTCXOWMZ-UHFFFAOYSA-N |
| Mol Weight | 272.39 g/mol |
| Molecular Formula | C21H20 |
| Exact Mass | 272.156501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6gxqmEs6dkn |
|---|---|
| Name | Trans-15-(4'-butenyl)-16-methyldihydropyrene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.156500644 u |
| Formula | C21H20 |
| InChI | InChI=1S/C21H20/c1-3-4-15-21-18-9-6-10-19(21)14-12-17-8-5-7-16(11-13-18)20(17,21)2/h3,5-14H,1,4,15H2,2H3 |
| InChIKey | VFLSXABTCXOWMZ-UHFFFAOYSA-N |
| Molecular Weight | 272.391 g/mol |
| SMILES | C12(C3(C=4C=CC=C3C=CC1=CC=CC2=CC4)CCC=C)C |